SCHEMBL31433307

SCHEMBL31433307

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 19/20 0.58
▸ PRMT1 Q99873 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29676442 0.94 NPBWR1 (0.61) NPBWR1PRMT1
SCHEMBL31433302 0.91 PRMT1 (0.57) NPBWR1PRMT1
SCHEMBL31583852 0.91 ERAP2 (0.63) —
SCHEMBL29378588 0.91 ERAP2 (0.63) —
SCHEMBL31541502 0.89 OPRM1 (0.55) PRMT1
SCHEMBL29676127 0.88 NPBWR1 (0.66) NPBWR1
SCHEMBL29531497 0.88 ERAP2 (0.61) —
SCHEMBL31004384 0.88 ERAP2 (0.61) —
SCHEMBL29620375 0.88 CCKAR (0.55) NPBWR1PRMT1
SCHEMBL31214602 0.87 ERAP2 (0.57) NPBWR1PRMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 NPBWR1 1473/4885PRMT1 1191/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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